N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C15H21N3OS — CID 103987762

IUPACN-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CC2CCOC2)nc2sc(C)c(C)c12
InChIInChI=1S/C15H21N3OS/c1-4-16-14-13-9(2)10(3)20-15(13)18-12(17-14)7-11-5-6-19-8-11/h11H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyAHEFIUOYCBAYKI-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.32
Rot. Bonds4

About N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103987762) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103987762
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CC2CCOC2)nc2sc(C)c(C)c12
InChIInChI=1S/C15H21N3OS/c1-4-16-14-13-9(2)10(3)20-15(13)18-12(17-14)7-11-5-6-19-8-11/h11H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyAHEFIUOYCBAYKI-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-iodo-2-(oxolan-3-ylmethyl)-6-propylpyrimidin-4-amine
CID 103987843
[5,6-dimethyl-2-(oxolan-3-yloxymethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63558704
2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 106815207
5-bromo-N-ethyl-6-(2-methylpropyl)-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987890
N-ethyl-5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183200
[6-ethyl-5-methyl-2-(oxolan-3-ylmethyl)pyrimidin-4-yl]hydrazine
CID 103987918
N-ethyl-2-(3-ethylcyclopentyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 65404241
2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103987757
N-ethyl-5,6-dimethyl-2-(thiolan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 80638956
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074902
6-tert-butyl-N-ethyl-2-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103987795
6-N,5-dimethyl-4-N-(oxolan-3-ylmethyl)-2-propylpyrimidine-4,6-diamine
CID 80983011

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103987762) is N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CC2CCOC2)nc2sc(C)c(C)c12.
What is the InChIKey of N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AHEFIUOYCBAYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-16-14-13-9(2)10(3)20-15(13)18-12(17-14)7-11-5-6-19-8-11/h11H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103987762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).